5-ethyl-2-(2-piperidin-1-ylethoxy)-3H-pyrano[2,3-d]pyrimidine-4,7-dione

C16H21N3O4 — CID 59304950

IUPAC5-ethyl-2-(2-piperidin-1-ylethoxy)-3H-pyrano[2,3-d]pyrimidine-4,7-dione
SMILESCCc1cc(=O)oc2nc(OCCN3CCCCC3)[nH]c(=O)c12
InChIInChI=1S/C16H21N3O4/c1-2-11-10-12(20)23-15-13(11)14(21)17-16(18-15)22-9-8-19-6-4-3-5-7-19/h10H,2-9H2,1H3,(H,17,18,21)
InChIKeyBABVGIBSXNMFQO-UHFFFAOYSA-N
MW319.36 g/mol
LogP1.30
Rot. Bonds5

About 5-ethyl-2-(2-piperidin-1-ylethoxy)-3H-pyrano[2,3-d]pyrimidine-4,7-dione

5-ethyl-2-(2-piperidin-1-ylethoxy)-3H-pyrano[2,3-d]pyrimidine-4,7-dione (PubChem CID 59304950) has the molecular formula C16H21N3O4 and a molecular weight of 319.36 g/mol. Its IUPAC name is 5-ethyl-2-(2-piperidin-1-ylethoxy)-3H-pyrano[2,3-d]pyrimidine-4,7-dione.

Molecular Properties

Compound Name5-ethyl-2-(2-piperidin-1-ylethoxy)-3H-pyrano[2,3-d]pyrimidine-4,7-dione
PubChem CID59304950
Molecular FormulaC16H21N3O4
Molecular Weight319.36 g/mol
Exact Mass319.15
IUPAC Name5-ethyl-2-(2-piperidin-1-ylethoxy)-3H-pyrano[2,3-d]pyrimidine-4,7-dione
SMILESCCc1cc(=O)oc2nc(OCCN3CCCCC3)[nH]c(=O)c12
InChIInChI=1S/C16H21N3O4/c1-2-11-10-12(20)23-15-13(11)14(21)17-16(18-15)22-9-8-19-6-4-3-5-7-19/h10H,2-9H2,1H3,(H,17,18,21)
InChIKeyBABVGIBSXNMFQO-UHFFFAOYSA-N
XLogP1.30
TPSA88.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-ethyl-2-(2-piperidin-1-ylethoxy)-3H-pyrano[2,3-d]pyrimidine-4,7-dione with MolForge

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Related Compounds

5-ethyl-2-[(2-methyl-5-phenylfuran-3-yl)methoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione
CID 59304899
5-ethyl-2-[(4-methylphenyl)methoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione;5-ethyl-2-[[2-(trifluoromethyl)phenyl]methoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione
CID 123447929
5-butyl-2-[(E)-1-(4-methylpiperazin-1-yl)butylideneamino]oxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione
CID 24743032
5-(2-cyclopentylethyl)-2-[2-[[4-(trifluoromethyl)-2-pyridinyl]oxy]ethoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione
CID 143333044
5-butyl-2-[(E)-1-(4-iodopiperazin-1-yl)butylideneamino]oxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione
CID 172924169
5-(2-cyclopentylethyl)-2-(methylideneamino)oxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione
CID 143517390
5-ethyl-2-[[phenyl(thiophen-3-yl)methylidene]amino]oxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione
CID 91146231
ethyl N-[(5-hexyl-4,7-dioxo-3H-pyrano[2,3-d]pyrimidin-2-yl)oxy]carbamate
CID 59304770
1-[2-(4-ethylphenoxy)ethyl]piperidine
CID 867198
ethane;3-[6-(2-piperidin-1-ylethoxy)-1H-benzimidazol-2-yl]-1H-quinolin-2-one
CID 142059903
1-[2-(4-methoxyphenoxy)ethyl]azepane
CID 888209
5-(2-cyclopentylethyl)-2-(fluoromethyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione
CID 24954567

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-(2-piperidin-1-ylethoxy)-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
The IUPAC name of 5-ethyl-2-(2-piperidin-1-ylethoxy)-3H-pyrano[2,3-d]pyrimidine-4,7-dione (CID 59304950) is 5-ethyl-2-(2-piperidin-1-ylethoxy)-3H-pyrano[2,3-d]pyrimidine-4,7-dione.
What is the SMILES notation for 5-ethyl-2-(2-piperidin-1-ylethoxy)-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
The canonical SMILES for 5-ethyl-2-(2-piperidin-1-ylethoxy)-3H-pyrano[2,3-d]pyrimidine-4,7-dione is CCc1cc(=O)oc2nc(OCCN3CCCCC3)[nH]c(=O)c12.
What is the InChIKey of 5-ethyl-2-(2-piperidin-1-ylethoxy)-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
The InChIKey is BABVGIBSXNMFQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O4/c1-2-11-10-12(20)23-15-13(11)14(21)17-16(18-15)22-9-8-19-6-4-3-5-7-19/h10H,2-9H2,1H3,(H,17,18,21).
What are the key properties of 5-ethyl-2-(2-piperidin-1-ylethoxy)-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
5-ethyl-2-(2-piperidin-1-ylethoxy)-3H-pyrano[2,3-d]pyrimidine-4,7-dione has a molecular weight of 319.36 g/mol, XLogP of 1.30, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-(2-piperidin-1-ylethoxy)-3H-pyrano[2,3-d]pyrimidine-4,7-dione is sourced from PubChem (CID 59304950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).